WVY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | N14 | doub | 1.31Å | 1.33Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| N14 | N10 | sing | 1.40Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.35Å | 1.37Å | Aromatic |
| N10 | C11 | sing | 1.35Å | 1.31Å | Aromatic |
| N10 | C07 | sing | 1.40Å | 1.43Å | |
| C06 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.37Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.36Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.37Å | Aromatic |
| C09 | C04 | sing | 1.38Å | 1.37Å | Aromatic |
| C04 | C03 | sing | 1.51Å | 1.52Å | |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C03 | C02 | sing | 1.51Å | 1.52Å | |
| C02 | O15 | sing | 1.34Å | 1.39Å | |
| O15 | C16 | sing | 1.45Å | 1.36Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| O23 | C22 | doub | 1.21Å | 1.16Å | |
| C17 | C22 | sing | 1.50Å | 1.56Å | |
| C17 | C18 | sing | 1.53Å | 1.45Å | |
| C22 | N21 | sing | 1.33Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.45Å | |
| N21 | C20 | sing | 1.46Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.48Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N14 | C13 | C12 | 107.4° | 108.3° |
| C13 | N14 | N10 | 107.3° | 108.2° |
| N14 | C13 | H131 | 126.3° | 125.8° |
| C13 | C12 | C11 | 107.8° | 107.9° |
| C12 | C13 | H131 | 126.3° | 125.9° |
| C13 | C12 | H121 | 126.1° | 126.1° |
| N14 | N10 | C11 | 110.2° | 107.9° |
| N14 | N10 | C07 | 120.9° | 126.0° |
| C12 | C11 | N10 | 107.2° | 107.7° |
| C12 | C11 | H111 | 126.4° | 126.2° |
| C11 | C12 | H121 | 126.1° | 126.0° |
| C11 | N10 | C07 | 128.6° | 126.1° |
| N10 | C11 | H111 | 126.4° | 126.2° |
| N10 | C07 | C06 | 119.1° | 120.1° |
| N10 | C07 | C08 | 119.2° | 120.0° |
| C07 | C06 | C05 | 119.1° | 119.9° |
| C06 | C07 | C08 | 121.4° | 119.9° |
| C07 | C06 | H061 | 120.5° | 120.0° |
| C06 | C05 | C04 | 120.1° | 120.1° |
| C06 | C05 | H051 | 120.0° | 120.0° |
| C05 | C06 | H061 | 120.4° | 120.1° |
| C07 | C08 | C09 | 118.7° | 119.9° |
| C07 | C08 | H081 | 120.6° | 120.1° |
| C08 | C09 | C04 | 120.5° | 120.1° |
| C09 | C08 | H081 | 120.6° | 120.0° |
| C08 | C09 | H091 | 119.8° | 120.0° |
| C05 | C04 | C09 | 120.0° | 120.1° |
| C05 | C04 | C03 | 118.9° | 119.9° |
| C04 | C05 | H051 | 119.9° | 120.0° |
| C09 | C04 | C03 | 121.0° | 119.9° |
| C04 | C09 | H091 | 119.7° | 119.9° |
| C04 | C03 | C02 | 112.8° | 109.5° |
| C04 | C03 | H032 | 108.7° | 109.4° |
| C04 | C03 | H031 | 108.7° | 109.4° |
| O01 | C02 | C03 | 121.6° | 120.0° |
| O01 | C02 | O15 | 121.9° | 120.0° |
| C03 | C02 | O15 | 116.5° | 120.0° |
| C02 | C03 | H032 | 108.6° | 109.5° |
| C02 | C03 | H031 | 108.6° | 109.5° |
| C02 | O15 | C16 | 115.6° | 117.0° |
| O15 | C16 | C17 | 106.6° | 109.5° |
| O15 | C16 | H161 | 110.2° | 109.5° |
| O15 | C16 | H162 | 110.2° | 109.4° |
| C16 | C17 | C22 | 104.4° | 109.4° |
| C16 | C17 | C18 | 112.8° | 109.4° |
| C16 | C17 | H171 | 106.5° | 109.3° |
| C17 | C16 | H161 | 110.2° | 109.5° |
| C17 | C16 | H162 | 110.2° | 109.5° |
| O23 | C22 | C17 | 119.5° | 118.3° |
| O23 | C22 | N21 | 122.2° | 118.2° |
| C22 | C17 | C18 | 118.9° | 109.9° |
| C17 | C22 | N21 | 118.3° | 123.5° |
| C22 | C17 | H171 | 106.0° | 109.4° |
| C17 | C18 | C19 | 116.8° | 108.4° |
| C18 | C17 | H171 | 107.4° | 109.4° |
| C17 | C18 | H182 | 107.6° | 109.6° |
| C17 | C18 | H181 | 107.6° | 109.7° |
| C22 | N21 | C20 | 113.7° | 124.1° |
| C22 | N21 | H211 | 123.1° | 117.9° |
| C18 | C19 | C20 | 115.5° | 108.7° |
| C19 | C18 | H182 | 107.6° | 109.7° |
| C19 | C18 | H181 | 107.6° | 109.7° |
| C18 | C19 | H192 | 107.9° | 109.6° |
| C18 | C19 | H191 | 107.9° | 109.6° |
| N21 | C20 | C19 | 114.0° | 110.5° |
| N21 | C20 | H202 | 108.3° | 109.3° |
| N21 | C20 | H201 | 108.3° | 109.1° |
| C20 | N21 | H211 | 123.2° | 118.0° |
| C19 | C20 | H202 | 108.3° | 109.3° |
| C19 | C20 | H201 | 108.3° | 109.3° |
| C20 | C19 | H192 | 108.0° | 109.6° |
| C20 | C19 | H191 | 108.0° | 109.6° |
| H202 | C20 | H201 | 109.5° | 109.3° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.4° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.7° |
| H192 | C19 | H191 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N14 | C13 | C12 | H131 | 180.0° | 179.7° |
| N14 | C13 | C12 | C11 | 0.5° | 0.0° |
| C13 | N14 | N10 | C11 | 1.8° | 0.1° |
| C13 | N14 | N10 | C07 | 176.1° | 179.9° |
| N14 | C13 | C12 | H121 | 179.5° | 180.0° |
| C12 | C13 | N14 | N10 | 0.7° | 0.0° |
| C13 | C12 | C11 | H121 | 180.0° | 180.0° |
| C13 | C12 | C11 | N10 | 1.6° | 0.0° |
| C13 | C12 | C11 | H111 | 178.4° | 180.0° |
| N14 | N10 | C11 | C12 | 2.1° | 0.1° |
| N14 | N10 | C11 | C07 | 173.8° | 179.9° |
| N14 | N10 | C07 | C06 | 20.8° | 0.1° |
| N14 | N10 | C07 | C08 | 153.2° | 179.9° |
| N10 | N14 | C13 | H131 | 179.3° | 179.7° |
| N14 | N10 | C11 | H111 | 177.9° | 180.0° |
| C12 | C11 | N10 | H111 | 180.0° | 180.0° |
| C12 | C11 | N10 | C07 | 175.9° | 180.0° |
| C11 | C12 | C13 | H131 | 179.5° | 179.7° |
| C11 | N10 | C07 | C06 | 166.1° | 179.9° |
| C11 | N10 | C07 | C08 | 19.9° | 0.0° |
| N10 | C11 | C12 | H121 | 178.4° | 180.0° |
| N10 | C07 | C06 | C08 | 173.9° | 179.9° |
| N10 | C07 | C06 | C05 | 178.2° | 180.0° |
| N10 | C07 | C08 | C09 | 177.0° | 179.7° |
| N10 | C07 | C06 | H061 | 1.8° | 0.0° |
| N10 | C07 | C08 | H081 | 3.0° | 0.1° |
| C07 | N10 | C11 | H111 | 4.1° | 0.1° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 3.1° | 0.3° |
| C07 | C06 | C05 | C04 | 3.1° | 0.0° |
| C07 | C06 | C05 | H051 | 176.9° | 180.0° |
| C06 | C07 | C08 | H081 | 176.9° | 180.0° |
| C05 | C06 | C07 | C08 | 4.3° | 0.1° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | C09 | 0.7° | 0.2° |
| C06 | C05 | C04 | C03 | 178.8° | 180.0° |
| C07 | C08 | C09 | H081 | 180.0° | 179.7° |
| C07 | C08 | C09 | C04 | 0.7° | 0.5° |
| C08 | C07 | C06 | H061 | 175.6° | 180.0° |
| C07 | C08 | C09 | H091 | 179.4° | 179.9° |
| C08 | C09 | C04 | C05 | 0.5° | 0.5° |
| C08 | C09 | C04 | H091 | 180.0° | 179.5° |
| C08 | C09 | C04 | C03 | 180.0° | 179.7° |
| C05 | C04 | C09 | C03 | 179.5° | 179.8° |
| C05 | C04 | C03 | C02 | 158.1° | 90.0° |
| C05 | C04 | C03 | H032 | 81.5° | 30.1° |
| C05 | C04 | C03 | H031 | 37.6° | 150.0° |
| C04 | C05 | C06 | H061 | 176.9° | 180.0° |
| C05 | C04 | C09 | H091 | 179.5° | 180.0° |
| C09 | C04 | C03 | C02 | 21.4° | 90.2° |
| C09 | C04 | C03 | H032 | 99.0° | 149.7° |
| C09 | C04 | C03 | H031 | 141.9° | 29.8° |
| C09 | C04 | C05 | H051 | 179.3° | 179.8° |
| C04 | C09 | C08 | H081 | 179.3° | 179.8° |
| C04 | C03 | C02 | O01 | 70.1° | 0.0° |
| C04 | C03 | C02 | H032 | 120.5° | 120.0° |
| C04 | C03 | C02 | H031 | 120.5° | 120.0° |
| C04 | C03 | C02 | O15 | 110.1° | 180.0° |
| C04 | C03 | H032 | H031 | 118.5° | 119.9° |
| C03 | C04 | C05 | H051 | 1.2° | 0.0° |
| C03 | C04 | C09 | H091 | 0.0° | 0.2° |
| O01 | C02 | C03 | O15 | 179.8° | 180.0° |
| O01 | C02 | O15 | C16 | 24.9° | 0.0° |
| O01 | C02 | C03 | H032 | 169.4° | 120.0° |
| O01 | C02 | C03 | H031 | 50.4° | 120.0° |
| C03 | C02 | O15 | C16 | 155.3° | 180.0° |
| C02 | C03 | H032 | H031 | 118.5° | 120.0° |
| C02 | O15 | C16 | C17 | 139.8° | 180.0° |
| O15 | C02 | C03 | H032 | 10.4° | 60.0° |
| O15 | C02 | C03 | H031 | 129.4° | 60.0° |
| C02 | O15 | C16 | H161 | 20.3° | 60.0° |
| C02 | O15 | C16 | H162 | 100.6° | 60.0° |
| O15 | C16 | C17 | H161 | 119.6° | 120.0° |
| O15 | C16 | C17 | H162 | 119.6° | 120.0° |
| O15 | C16 | C17 | C22 | 176.0° | 65.0° |
| O15 | C16 | C17 | C18 | 45.5° | 174.6° |
| O15 | C16 | C17 | H171 | 72.1° | 54.8° |
| O15 | C16 | H161 | H162 | 121.3° | 120.0° |
| C16 | C17 | C22 | O23 | 33.9° | 42.3° |
| C16 | C17 | C22 | C18 | 126.8° | 120.1° |
| C16 | C17 | C22 | H171 | 112.3° | 119.8° |
| C16 | C17 | C18 | H171 | 117.0° | 119.7° |
| C16 | C17 | C22 | N21 | 148.1° | 137.7° |
| C16 | C17 | C18 | C19 | 125.0° | 169.0° |
| C17 | C16 | H161 | H162 | 121.3° | 120.0° |
| C16 | C17 | C18 | H182 | 3.9° | 49.3° |
| C16 | C17 | C18 | H181 | 114.0° | 71.2° |
| O23 | C22 | C17 | N21 | 178.0° | 180.0° |
| O23 | C22 | C17 | C18 | 160.7° | 162.4° |
| O23 | C22 | N21 | C20 | 179.6° | 177.8° |
| O23 | C22 | C17 | H171 | 78.4° | 77.5° |
| O23 | C22 | N21 | H211 | 0.4° | 2.3° |
| C22 | C17 | C18 | H171 | 120.3° | 120.1° |
| C22 | C17 | C18 | C19 | 2.2° | 48.9° |
| C17 | C22 | N21 | C20 | 1.6° | 2.2° |
| C22 | C17 | C16 | H161 | 64.5° | 175.0° |
| C22 | C17 | C16 | H162 | 56.4° | 55.0° |
| C22 | C17 | C18 | H182 | 118.8° | 70.8° |
| C22 | C17 | C18 | H181 | 123.3° | 168.6° |
| C17 | C22 | N21 | H211 | 178.3° | 177.8° |
| C18 | C17 | C22 | N21 | 21.3° | 17.5° |
| C17 | C18 | C19 | H182 | 121.1° | 119.7° |
| C17 | C18 | C19 | H181 | 121.1° | 119.7° |
| C17 | C18 | C19 | C20 | 36.4° | 67.5° |
| C18 | C17 | C16 | H161 | 165.1° | 54.6° |
| C18 | C17 | C16 | H162 | 74.1° | 65.5° |
| C17 | C18 | H182 | H181 | 116.6° | 120.5° |
| C17 | C18 | C19 | H192 | 84.5° | 52.3° |
| C17 | C18 | C19 | H191 | 157.3° | 172.7° |
| C22 | N21 | C20 | H211 | 180.0° | 179.9° |
| C22 | N21 | C20 | C19 | 35.3° | 19.0° |
| N21 | C22 | C17 | H171 | 99.6° | 102.6° |
| C22 | N21 | C20 | H202 | 85.3° | 101.3° |
| C22 | N21 | C20 | H201 | 156.0° | 139.2° |
| C18 | C19 | C20 | N21 | 56.7° | 50.8° |
| C18 | C19 | C20 | H192 | 120.9° | 119.8° |
| C18 | C19 | C20 | H191 | 120.9° | 119.8° |
| C19 | C18 | C17 | H171 | 118.0° | 71.3° |
| C18 | C19 | C20 | H202 | 63.9° | 69.5° |
| C18 | C19 | C20 | H201 | 177.4° | 170.9° |
| C19 | C18 | H182 | H181 | 116.7° | 120.6° |
| C18 | C19 | H192 | H191 | 117.2° | 120.4° |
| N21 | C20 | C19 | H202 | 120.6° | 120.3° |
| N21 | C20 | C19 | H201 | 120.7° | 120.1° |
| N21 | C20 | H202 | H201 | 117.9° | 119.4° |
| N21 | C20 | C19 | H192 | 64.1° | 69.1° |
| N21 | C20 | C19 | H191 | 177.6° | 170.5° |
| C19 | C20 | H202 | H201 | 118.0° | 119.6° |
| C20 | C19 | C18 | H182 | 157.5° | 52.2° |
| C20 | C19 | C18 | H181 | 84.7° | 172.8° |
| C20 | C19 | H192 | H191 | 117.3° | 120.4° |
| C19 | C20 | N21 | H211 | 144.7° | 160.9° |
| H131 | C13 | C12 | H121 | 0.5° | 0.3° |
| H171 | C17 | C16 | H161 | 47.5° | 65.2° |
| H171 | C17 | C16 | H162 | 168.3° | 174.8° |
| H171 | C17 | C18 | H182 | 120.9° | 169.0° |
| H171 | C17 | C18 | H181 | 3.1° | 48.5° |
| H202 | C20 | C19 | H192 | 175.2° | 170.6° |
| H202 | C20 | C19 | H191 | 57.0° | 50.2° |
| H202 | C20 | N21 | H211 | 94.6° | 78.8° |
| H201 | C20 | C19 | H192 | 56.5° | 51.0° |
| H201 | C20 | C19 | H191 | 61.7° | 69.4° |
| H201 | C20 | N21 | H211 | 24.0° | 40.7° |
| H051 | C05 | C06 | H061 | 3.1° | 0.0° |
| H081 | C08 | C09 | H091 | 0.7° | 0.3° |
| H111 | C11 | C12 | H121 | 1.6° | 0.0° |
| H182 | C18 | C19 | H192 | 36.6° | 172.0° |
| H182 | C18 | C19 | H191 | 81.6° | 67.6° |
| H181 | C18 | C19 | H192 | 154.4° | 67.4° |
| H181 | C18 | C19 | H191 | 36.2° | 53.0° |
